%chk=000001671.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001671

0 1
 O    3.862300     -0.7668000     -0.6464000    
 N   -2.420200       2.181600     -0.5409000    
 C   -1.084100     -0.4286000     -0.7425000    
 C   -2.214000     -0.1316000      0.2819000    
 C   -2.158200       1.356700      0.6524000    
 C   -1.186100      -1.927800      -1.136200    
 C   -1.364800      0.4467000      -1.995400    
 C   -2.170700      -1.067300       1.505500    
 C   0.2893000     -1.5000000E-02 -0.1798000    
 C  -0.8325000       1.714800       1.344700    
 C   -1.132400      -2.867100      6.9899999E-02
 C   -2.220500      -2.533500       1.084800    
 C   -1.514100       1.936200      -1.661300    
 C   0.3856000       1.008200      0.7923000    
 C    1.481900     -0.5846000     -0.6619000    
 C    1.644300       1.390800       1.287000    
 C    2.726300     -0.1903000     -0.1658000    
 C    2.807600      0.7922000      0.8127000    
 C    5.100400     -0.3145000     -0.1009000    
 H   -3.183700     -0.3173000     -0.2070000    
 H   -2.971900       1.579200       1.354100    
 H  -0.4173000      -2.214500      -1.861200    
 H   -2.142800      -2.098800      -1.649900    
 H   -2.294000      0.1092000      -2.475000    
 H  -0.5703000      0.3234000      -2.742600    
 H   -3.022200     -0.8523000       2.162400    
 H   -1.268100     -0.9066000       2.104800    
 H  -0.9132000       1.448700       2.407200    
 H  -0.6743000       2.800600       1.309500    
 H  -0.1494000      -2.811500      0.5512000    
 H   -1.258300      -3.901900     -0.2692000    
 H   -3.203400      -2.753600      0.6501000    
 H   -2.113100      -3.175100       1.966700    
 H  -0.5347000       2.385300      -1.461600    
 H   -1.905200       2.455900      -2.543500    
 H   -2.389200       3.169500     -0.2909000    
 H    1.462800      -1.340700      -1.441200    
 H    1.718900       2.166900       2.045400    
 H    3.738200       1.144700       1.243500    
 H    5.897300     -0.8778000     -0.5973000    
 H    5.172900     -0.5345000      0.9696000    
 H    5.274000      0.7446000     -0.3199000    


%chk=000001671-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001671

0 1
O 3.844396 -0.826935 -0.664182
N -2.467772 2.159031 -0.590325
C -1.085715 -0.412466 -0.736537
C -2.235779 -0.130134 0.284377
C -2.219975 1.372326 0.649813
C -1.147954 -1.914874 -1.137987
C -1.355961 0.464749 -2.007310
C -2.173160 -1.068873 1.512953
C 0.273189 0.005979 -0.133692
C -0.903301 1.721567 1.405609
C -1.083694 -2.869084 0.076070
C -2.215593 -2.554655 1.084084
C -1.469958 1.964862 -1.674186
C 0.346864 1.050301 0.840562
C 1.475403 -0.574414 -0.597036
C 1.615775 1.455162 1.314568
C 2.735072 -0.154995 -0.112771
C 2.816749 0.871835 0.857453
C 5.170976 -0.429008 -0.191996
H -3.191800 -0.318417 -0.247328
H -3.071416 1.586100 1.326605
H -0.353461 -2.160172 -1.868751
H -2.109869 -2.075243 -1.668623
H -2.308094 0.125922 -2.461433
H -0.548937 0.308055 -2.749429
H -3.018846 -0.840960 2.192838
H -1.241557 -0.890031 2.084930
H -1.019762 1.424615 2.469121
H -0.769950 2.822726 1.414634
H -0.102511 -2.763492 0.579475
H -1.158024 -3.919414 -0.266944
H -3.195892 -2.773421 0.611696
H -2.132145 -3.211444 1.971733
H -0.459652 2.362007 -1.418848
H -1.821520 2.515257 -2.567268
H -2.614470 3.156204 -0.380634
H 1.468442 -1.370751 -1.347106
H 1.668186 2.255279 2.064473
H 3.777713 1.216064 1.250740
H 5.876458 -1.068461 -0.742815
H 5.282297 -0.602958 0.896548
H 5.378346 0.635664 -0.417780


